Hex-4-yn-3-one (CHEBI:229327)

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ChEBI Ontology

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Hex-4-yn-3-one

ChEBI ID	CHEBI:229327

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C6H8O

Net Charge

Average Mass

96.129

Monoisotopic Mass

96.05751

InChI

InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3

InChIKey

BIWUZTZFFUMZIG-UHFFFAOYSA-N

SMILES

O=C(CC)C#CC

Metabolite of Species	Details
Oryctolagus cuniculus (NCBI:txid9986)	Found in longissimus thoracis (BTO:0001651). See: MetaboLights Study

ChEBI Ontology
Outgoing	Hex-4-yn-3-one (CHEBI:229327) is a α,β-unsaturated ketone (CHEBI:51721)

IUPAC Name

hex-4-yn-3-one